(1S,3aS,4Z,6R,8S,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl butyrat e

(1S,3aS,4Z,6R,8S,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl butyrat e

Common Name: (1S,3aS,4Z,6R,8S,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl butyrat e

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O12/c1-8-9-21(32)39-17-13-19(37-15(3)29)25(5)11-10-18(31)26(6,34)22(25)23(38-16(4)30)28(36)20(12-14(17)2)40-24(33)27(28,7)35/h10-12,17-20,22-23,31,34-36H,8-9,13H2,1-7H3/b14-12-/t17-,18-,19+,20+,22-,23+,25-,26-,27-,28+/m1/s1

InChIKey: InChIKey=ANVGZIIDULGYNS-RSLOIVMNSA-N

Formula: C28H40O12

Molecular Weight: 568.611094

Exact Mass: 568.251977

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Iwagawa, T., Babazono, K., Nakatani, M., Doe, M., Morimoto, Y., Takemura, K. Heterocycles (2005) 65, 607-17

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (C) 47.6
2 (CH) 79.7
3 (CH2) 39.4
4 (CH) 74.1
5 (C) 143.2
6 (CH) 126.4
7 (CH) 79.7
8 (C) 80.1
9 (CH) 67.8
10 (CH) 39.4
11 (C) 76.2
12 (CH) 72
13 (CH) 125.5
14 (CH) 140.3
15 (CH3) 15.9
16 (CH3) 26.4
17 (C) 80.8
18 (CH3) 16
19 (C) 178.6
20 (CH3) 22.9
2a (C) 171.9
2b (CH3) 21
4a (C) 174.6
4b (CH2) 37.1
4c (CH2) 19.4
4d (CH3) 14
9a (C) 172.1
9b (CH3) 22.4