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3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM117640

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₃H₅₀O₅

charge

mass

526.36582

reference

hmdb:HMDB0036673

InChIKey

LFLJTCVAAOWHTD-BHPNAFPPSA-N

InChI

InChI=1S/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24?,25-,26+,27?,29-,30+,31-,32-,33-/m1/s1

SMILES

COC(=O)[C@]1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036673	3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid 3a-Acetomethoxy-11a-oxo-12-ursen-24-Oate 3a-Acetomethoxy-11a-oxo-12-ursen-24-Oic acid 3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-Oate 3alpha-acetomethoxy-11alpha-oxo-12-ursen-24-Oate 3alpha-acetomethoxy-11alpha-oxo-12-ursen-24-Oic acid Methyl (3R,4R,6ar,6BS,8ar,11R,12S,12ar,14BS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid methyl (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate methyl (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylate
hmdb:HMDB36673	secondary/obsolete/fantasy identifier