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20(R),22(xi),24(S)-dammar-25(26)-ene-3beta,6alpha,12beta,20,22,24-hexanol

PropertiesImage
MNX_IDMNXM101671 Image of MNXM101671
referencechebi:65722
formulaC30H52O6
global charge0
mol weight508.74
InChIKeyYLRZIFDQYSWFML-ZOFAZQJHSA-N
InChIInChI=1S/C30H52O6/c1-16(2)18(31)14-23(35)30(8,36)17-9-12-28(6)24(17)19(32)13-21-27(5)11-10-22(34)26(3,4)25(27)20(33)15-29(21,28)7/h17-25,31-36H,1,9-15H2,2-8H3/t17-,18-,19+,20-,21+,22-,23?,24-,25-,27+,28+,29+,30+/m0/s1
SMILESC=C(C)[C@@H](O)CC(O)[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C
MNX internals
InChI (mnx)InChI=1/C30H52O6/c1-16(2)18(31)14-23(35)30(8,36)17-9-12-28(6)24(17)19(32)13-21-27(5)11-10-22(34)26(3,4)25(27)20(33)15-29(21,28)7/h17-25,31-36H,1,9-15H2,2-8H3/t17-,18-,19+,20-,21+,22-,23?,24-,25-,27+,28+,29+,30+/m0/s1 Image of MNXM101671
SMILES (mnx)[CH2:1]=[C:16]([CH3:2])[C@H:18]([CH2:14][CH:23]([C@@:30]([CH3:8])([C@H:17]1[CH2:9][CH2:12][C@:28]2([CH3:6])[C@@H:24]1[C@H:19]([OH:32])[CH2:13][C@@H:21]1[C@@:27]3([CH3:5])[CH2:11][CH2:10][C@H:22]([OH:34])[C:26]([CH3:3])([CH3:4])[C@@H:25]3[C@@H:20]([OH:33])[CH2:15][C@:29]12[CH3:7])[OH:36])[OH:35])[OH:31]
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:65722
chebi:65722
YLRZIFDQYSWFML-ZOFAZQJHSA-N
20(R),22(xi),24(S)-dammar-25(26)-ene-3beta,6alpha,12beta,20,22,24-hexanol
(3beta,6alpha,12beta,24S)-dammar-25-ene-3,6,12,20,22,24-hexol