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3beta-Hydroxy-22(30)-hopen-29-al

PropertiesImage
MNX_IDMNXM117677 Image of MNXM117677
referencechebi:171684
formulaC30H48O2
global charge0
mol weight440.712
InChIKeyIXBAWFNSWVWXAS-DJDCKNGGSA-N
InChIInChI=1S/C30H48O2/c1-19(18-31)20-10-14-27(4)21(20)11-16-29(6)23(27)8-9-24-28(5)15-13-25(32)26(2,3)22(28)12-17-30(24,29)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21-,22?,23+,24?,25-,27-,28-,29+,30+/m0/s1
SMILESC=C(C=O)[C@@H]1CC[C@]2(C)[C@H]3CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C30H48O2/c1-19(18-31)20-10-14-27(4)21(20)11-16-29(6)23(27)8-9-24-28(5)15-13-25(32)26(2,3)22(28)12-17-30(24,29)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21-,22?,23+,24?,25-,27-,28-,29+,30+/m0/s1 Image of MNXM117677
SMILES (mnx)[CH2:1]=[C:19]([CH:18]=[O:31])[C@@H:20]1[CH2:10][CH2:14][C@@:27]2([CH3:4])[C@H:21]1[CH2:11][CH2:16][C@:29]1([CH3:6])[C@@H:23]2[CH2:8][CH2:9][CH:24]2[C@@:28]3([CH3:5])[CH2:15][CH2:13][C@H:25]([OH:32])[C:26]([CH3:2])([CH3:3])[CH:22]3[CH2:12][CH2:17][C@:30]21[CH3:7]
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:171684
chebi:171684
IXBAWFNSWVWXAS-DJDCKNGGSA-N 		3beta-Hydroxy-22(30)-hopen-29-al
2-[(3R,3aS,5aR,5bR,9S,11aR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enal
hmdb:HMDB0036800
IXBAWFNSWVWXAS-DJDCKNGGSA-N 		3beta-Hydroxy-22(30)-hopen-29-al
2-[(1R,2R,5S,6R,9S,10R,14R,17S)-17-hydroxy-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-6-yl]prop-2-enal
3b-Hydroxy-22(30)-hopen-29-al
3beta-hydroxy-22(30)-hopen-29-al
5-(Acetylamino)-4-hydroxy-3-(phenylazo)-2,7-naphthalenedisulfonic acid, 9ci
Brilliant acid red g
Fast crimson GR
Naphthazine rose 2g
Red 2g
Solar fast red 3g
Vopsider red astr g
e128

hmdb:HMDB36800 		secondary/obsolete/fantasy identifier