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3a, 15a-diacetoxy-22a-hydroxylanosta-7,9(11),24-trien-26-oic acid

PropertiesImage
MNX_IDMNXM117634 Image of MNXM117634
referencechebi:199206
formulaC34H50O7
global charge0
mol weight570.767
InChIKeyXITBGHDSLKRVMR-GJGAYOQOSA-N
InChIInChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+/t20?,25-,26-,27?,28-,29+,32-,33-,34-/m1/s1
SMILESCC(=O)O[C@H]1C[C@H](C(C)[C@H](O)C/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CCC4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C
MNX internals
InChI (mnx)InChI=1/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+/t20?,25-,26-,27?,28-,29+,32-,33-,34-/m1/s1 Image of MNXM117634
SMILES (mnx)[CH3:1]/[C:19](=[CH:10]\[CH2:12][C@H:26]([CH:20]([CH3:2])[C@H:25]1[CH2:18][C@H:29]([O:41][C:22]([CH3:4])=[O:36])[C@@:34]2([CH3:9])[C:24]3=[CH:11][CH2:13][CH:27]4[C:31]([CH3:5])([CH3:6])[C@H:28]([O:40][C:21]([CH3:3])=[O:35])[CH2:15][CH2:16][C@:32]4([CH3:7])[C:23]3=[CH:14][CH2:17][C@:33]12[CH3:8])[OH:37])[C:30](=[O:38])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:199206
chebi:199206
XITBGHDSLKRVMR-GJGAYOQOSA-N 		3a, 15a-diacetoxy-22a-hydroxylanosta-7,9(11),24-trien-26-oic acid
(E,5R)-6-[(3R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2-methylhept-2-enoic acid
hmdb:HMDB0035605
XITBGHDSLKRVMR-VXLYETTFSA-N 		3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid
(2E)-6-[5,12-Bis(acetyloxy)-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-5-hydroxy-2-methylhept-2-enoate
(2E)-6-[5,12-bis(acetyloxy)-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-5-hydroxy-2-methylhept-2-enoic acid
3a,15a-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oate
3a,15a-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oic acid
3a,15a-Diacetoxy-22R-hydroxylanosta-7,9(11),24-trien-26-Oic acid
3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oate
3alpha,15alpha-diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oate
3alpha,15alpha-diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oic acid

CHEBI:176106
chebi:176106
XITBGHDSLKRVMR-VXLYETTFSA-N 		3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid
(E)-6-(3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-2-methylhept-2-enoic acid

hmdb:HMDB35605 		secondary/obsolete/fantasy identifier